CID 55289210

1,4-dioxepan-6-amine hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1COCC(CO1)N
InChI
InChI=1S/C5H11NO2/c6-5-3-7-1-2-8-4-5/h5H,1-4,6H2
InChIKey
MWEMWEUKFQJVMW-UHFFFAOYSA-N
Compound name
1,4-dioxepan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

117.07898 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 117.5
[M+Na]+ 140.06820 120.6
[M-H]- 116.07170 122.3
[M+NH4]+ 135.11280 135.1
[M+K]+ 156.04214 126.9
[M+H-H2O]+ 100.07624 112.3
[M+HCOO]- 162.07718 137.1
[M+CH3COO]- 176.09283 171.1
[M+Na-2H]- 138.05365 125.7
[M]+ 117.07843 110.9
[M]- 117.07953 110.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe